Dimethylformamide → 2-[1-(4-(Ethoxycarbonyl)piperazin-1-yl)carbonyl-3-(1,1-dimethylethoxycarbonyl)propyl]aminocarbonyl-7-chloro-4-(methylthio)quinoline
Reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[n:5][c:6]2[cH:7][c:8]([Cl:16])[cH:9][cH:10][c:11]2[c:12]([S:14][CH3:15])[cH:13]1.[CH2:17]([CH3:18])[O:19][C:20](=[O:21])[N:22]1[CH2:23][CH2:24][N:25]([C:28](=[O:29])[CH:30]([CH2:31][CH2:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[NH2:40])[CH2:26][CH2:27]1.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:52][n:53]1[c:54]2[c:55]([cH:56][cH:57][cH:58][cH:59]2)[n:60][n:61]1>>[C:1](=[O:3])([c:4]1[n:5][c:6]2[cH:7][c:8]([Cl:16])[cH:9][cH:10][c:11]2[c:12]([S:14][CH3:15])[cH:13]1)[NH:40][CH:30]([C:28]([N:25]1[CH2:24][CH2:23][N:22]([C:20]([O:19][CH2:17][CH3:18])=[O:21])[CH2:27][CH2:26]1)=[O:29])[CH2:31][CH2:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-e8fb31b5a3f04d40bd5ada1cd0aefaf4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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